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69971-44-4 | Methyl 4,6-dimethylnicotinate
CAS No: 69971-44-4 Catalog No: AG005GMX MDL No:MFCD18256178
Product Description
Catalog Number:
AG005GMX
Chemical Name:
Methyl 4,6-dimethylnicotinate
CAS Number:
69971-44-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD18256178
IUPAC Name:
methyl 4,6-dimethylpyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO2/c1-6-4-7(2)10-5-8(6)9(11)12-3/h4-5H,1-3H3
InChI Key:
XKPZKJCXLVXCRE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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